2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol

C13H21F6NO — CID 175797712

IUPAC2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol
SMILESCC1(C)CC(O)CC(CCC(F)(F)F)(CCC(F)(F)F)N1
InChIInChI=1S/C13H21F6NO/c1-10(2)7-9(21)8-11(20-10,3-5-12(14,15)16)4-6-13(17,18)19/h9,20-21H,3-8H2,1-2H3
InChIKeyYEWDHZZTJSIFKI-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.93
Rot. Bonds4

About 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol

2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol (PubChem CID 175797712) has the molecular formula C13H21F6NO and a molecular weight of 321.31 g/mol. Its IUPAC name is 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol
PubChem CID175797712
Molecular FormulaC13H21F6NO
Molecular Weight321.31 g/mol
Exact Mass321.15
IUPAC Name2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol
SMILESCC1(C)CC(O)CC(CCC(F)(F)F)(CCC(F)(F)F)N1
InChIInChI=1S/C13H21F6NO/c1-10(2)7-9(21)8-11(20-10,3-5-12(14,15)16)4-6-13(17,18)19/h9,20-21H,3-8H2,1-2H3
InChIKeyYEWDHZZTJSIFKI-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol?
The IUPAC name of 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol (CID 175797712) is 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol.
What is the SMILES notation for 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol?
The canonical SMILES for 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol is CC1(C)CC(O)CC(CCC(F)(F)F)(CCC(F)(F)F)N1.
What is the InChIKey of 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol?
The InChIKey is YEWDHZZTJSIFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6NO/c1-10(2)7-9(21)8-11(20-10,3-5-12(14,15)16)4-6-13(17,18)19/h9,20-21H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol?
2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol has a molecular weight of 321.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6,6-bis(3,3,3-trifluoropropyl)piperidin-4-ol is sourced from PubChem (CID 175797712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).